Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001741 (2017 - Acinetobacter Baumannii - ACIBS: Acinetobacter baumannii (strain SDF) [509170])

Download : Data.csv | 3D Common Core | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




 Query Sequence
Filter: 		Significants
SA found		 Seq Ident. 3D Core
(QMean Score)		 Classification code

 Binding Site Ligands Found
(Procognate)		 Profile Complexes by comparative docking
(ligands from PDB templates)

 Targets
for screening


Sort by entries

 [Nb of SA]
 [Best Ident]
 [Best Score]
 Main Code
 [Name]
 [Number]
 [Number]
 Distribution of CDocking pKd
 [Number]
350B0VTK00 39% 0.61 PF00018 0 - (0)? - / - / - 0
351B0VRT120 40% 0.61 PF01126 C6_S126 - (0)4 3 / - / - 1
352B0VL0421 50% 0.61 PF00701 C7_S169 - (0)13 - / - / 7 0
353B0VS469 81% 0.61 PF04303 C4_S14 - (0)3 - / - / 1 1
354B0VMT697 60% 0.61 PF02542 C8_S1108 - (84)20 - / - / 75 8
355B0VQ3445 99% 0.61 PF01202 C3_S159 - (56)6 18 / 8 / 12 2
356B0VNZ820 68% 0.61 PF08245 C1_S152 - (27)7 4 / 6 / - 2
357B0VMH04 23% 0.61 PF00317 1 - (0)? - / - / - 0
358B0VU0943 73% 0.61 PF02978 C5_S180 - (0)14 3 / 16 / 16 5
359B0VLJ515 41% 0.61 PF13411 21 - (0)1 - / - / - 0
360B0VR8620 56% 0.61 PF01641 C2_S111 - (0)1 - / - / 1 0
361B0VR2822 70% 0.61 PF00456 C1_S19 - (0)2 - / - / 2 1
362B0VRH520 54% 0.61 PF02737 C2_S135 - (35)4 3 / 1 / - 0
363B0VNU419 57% 0.61 PF03737 C6_S115 - (0)4 - / - / 3 1
364B0VMX524 99% 0.61 PF01116 C5_S123 - (15)11 - / 3 / 17 5
365B0VV4617 58% 0.61 PF04386 2 - (0)? - / - / - 0
366B0VTY229 68% 0.61 PF00550 C6_S140 - (0)13 - / - / 7 2
367B0VKB126 40% 0.61 PF00271 C2_S170 - (0)7 2 / - / 6 1
368B0VKI55 30% 0.61 PF07716 1 - (0)? - / - / - 0
369B0VKB882 55% 0.61 PF01180 C5_S1269 - (155)20 74 / 7 / 11 0
370B0VM6420 52% 0.61 PF01715 C4_S127 - (7)9 - / - / 7 2
371B0VT7213 29% 0.61 PF08299 20 - (0)? - / - / - 0
372B0VTN224 58% 0.61 PF00106 C1_S1100 - (58)8 8 / - / - 1
373B0VTF514 60% 0.61 PF01580 C3_S112 - (0)2 - / 3 / - 1
374B0VMV424 100% 0.61 PF00132 C2_S154 - (29)10 - / 2 / 12 3
375B0VLB520 42% 0.61 PF08282 11 - (0)? - / - / - 0
376B0VM1017 69% 0.61 PF01250 5 - (0)? - / - / - 0
377B0VR9517 52% 0.61 PF00364 11 - (0)? - / - / - 0
378B0VUW010 72% 0.61 PF00318 5 - (0)? - / - / - 0
379B0VQX523 77% 0.61 PF00056 C3_S136 - (26)11 7 / 11 / 2 4
380B0VTY321 58% 0.61 PF00106 C1_S161 - (0)20 - / - / 20 0
381B0VRW014 37% 0.61 PF13181 5 - (0)? - / - / - 0
382B0VMN618 55% 0.61 PF00106 C1_S167 - (36)5 3 / - / 4 1
383B0VTY60 55% 0.61 PF00421 0 - (0)? - / - / - 0
384B0VNL313 41% 0.61 PF01300 10 - (0)? - / - / - 0
385B0VPH017 56% 0.61 PF00012 C1_S126 - (21)4 - / 6 / - 2
386B0VNN815 25% 0.61 PF02452 3 - (0)? - / - / - 0
387B0VQ4718 59% 0.61 PF00210 34 - (0)1 - / - / - 0
388B0VMK41 34% 0.61 PF07361 65 - (0)1 - / - / - 0
389B0VL818 40% 0.61 PF02254 16 - (16)? - / - / - 0
390B0VR430 46% 0.61 PF01123 0 - (0)? - / - / - 0
391B0VPL211 34% 0.61 PF08241 29 - (17)? - / - / - 0
392B0VS175 17% 0.60 PF12822 15 - (0)? - / - / - 0
393B0VNK518 54% 0.60 PF02823 3 - (3)? - / - / - 0
394B0VRJ042 100% 0.60 PF00691 C5_S142 - (0)12 - / - / 17 4
395B0VQW322 62% 0.60 PF03358 C1_S161 - (45)9 - / 2 / 3 1
396B0VV9919 66% 0.60 PF05198 0 - (0)? - / - / - 0
397B0VPC120 44% 0.60 PF00117 2 - (0)? - / - / - 0
398B0VTF627 70% 0.60 PF07992 C1_S1154 - (135)9 18 / 2 / 5 4
399B0VKN220 49% 0.60 PF00899 C1_S123 - (0)4 - / 12 / - 2
400B0VKB420 40% 0.60 PF01210 C2_S136 - (25)4 1 / - / 1 0

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